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2LVJ
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BU of 2lvj by Molmil
solution structure of hemi-Mg-bound Phl p 7
Descriptor: MAGNESIUM ION, Polcalcin Phl p 7
Authors:Henzl, M.T, Tanner, J.J.
Deposit date:2012-07-05
Release date:2012-10-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound.
Proteins, 81, 2013
2LVI
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BU of 2lvi by Molmil
Solution structure of apo-Phl p 7
Descriptor: Polcalcin Phl p 7
Authors:Henzl, M.T, Tanner, J.J.
Deposit date:2012-07-05
Release date:2012-10-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound.
Proteins, 81, 2013
2LVK
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BU of 2lvk by Molmil
Solution structure of Ca-bound Phl p 7
Descriptor: CALCIUM ION, Polcalcin Phl p 7
Authors:Henzl, M.T, Sirianni, A.G, Tanner, J.J.
Deposit date:2012-07-05
Release date:2012-10-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg(2+) -bound, and fully Ca(2+) -bound.
Proteins, 81, 2013
4HVH
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BU of 4hvh by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
Descriptor: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVD
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BU of 4hvd by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
Descriptor: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVI
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BU of 4hvi by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide
Descriptor: 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVG
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BU of 4hvg by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide
Descriptor: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
8SVC
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BU of 8svc by Molmil
Crystal Structure of SBP from Klebsiella pneumoniae
Descriptor: Metal ABC transporter substrate-binding protein, SULFATE ION, ZINC ION
Authors:Giles, M.W, Cole, G.B, Ng, D, McDevitt, C.A, Moraes, T.F.
Deposit date:2023-05-16
Release date:2024-01-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Zinc acquisition and its contribution to Klebsiella pneumoniae virulence.
Front Cell Infect Microbiol, 13, 2023
8G6L
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BU of 8g6l by Molmil
HIV-1 capsid lattice bound to IP6, pH 6.2
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G6K
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BU of 8g6k by Molmil
HIV-1 CA lattice bound to IP6; from capsid-like particles
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G6O
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BU of 8g6o by Molmil
HIV-1 capsid lattice bound to IP6 and Lenacapavir
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G6M
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BU of 8g6m by Molmil
HIV-1 CA lattice bound to IP6, pH 7.4
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
8G6N
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BU of 8g6n by Molmil
HIV-1 capsid lattice bound to dNTPs
Descriptor: Capsid protein
Authors:Highland, C.M, Dick, R.A.
Deposit date:2023-02-15
Release date:2023-05-03
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural insights into HIV-1 polyanion-dependent capsid lattice formation revealed by single particle cryo-EM.
Proc.Natl.Acad.Sci.USA, 120, 2023
7SBI
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BU of 7sbi by Molmil
Tandem diubiquitin-like domain from chicken 2'-5'-oligoadenylate synthetase-like protein
Descriptor: 2'-5' oligoadenylate synthase
Authors:Freitas, B.T, Pegan, S.D.
Deposit date:2021-09-24
Release date:2022-01-12
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Structure and Immune Regulatory Implications of the Ubiquitin-Like Tandem Domain Within an Avian 2'-5' Oligoadenylate Synthetase-Like Protein
Front Immunol, 12, 2022
1HCT
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BU of 1hct by Molmil
NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX
Descriptor: ACETYL-PYEEIE-OH, HUMAN SRC
Authors:Gampe Junior, R.T, Xu, R.X.
Deposit date:1994-09-02
Release date:1995-09-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the human pp60c-src SH2 domain complexed with a phosphorylated tyrosine pentapeptide.
Biochemistry, 34, 1995
1HCS
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BU of 1hcs by Molmil
NMR STRUCTURE OF THE HUMAN SRC SH2 DOMAIN COMPLEX
Descriptor: ACETYL-PYEEIE-OH, HUMAN SRC
Authors:Gampe Junior, R.T, Xu, R.X.
Deposit date:1994-09-02
Release date:1995-09-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of the human pp60c-src SH2 domain complexed with a phosphorylated tyrosine pentapeptide.
Biochemistry, 34, 1995
7KR9
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BU of 7kr9 by Molmil
Bifunctional enzyme GlmU bound to Zn(II)
Descriptor: ACETYL COENZYME *A, Bifunctional protein GlmU, CALCIUM ION, ...
Authors:Maher, M.J.
Deposit date:2020-11-19
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dysregulation of Streptococcus pneumoniae zinc homeostasis breaks ampicillin resistance in a pneumonia infection model.
Cell Rep, 38, 2022
3FS7
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BU of 3fs7 by Molmil
Crystal structure of Gallus gallus beta-parvalbumin (avian thymic hormone)
Descriptor: CALCIUM ION, GLYCEROL, Parvalbumin, ...
Authors:Schuermann, J.P, Tanner, J.J, Henzl, M.T.
Deposit date:2009-01-09
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9539 Å)
Cite:Structure of avian thymic hormone, a high-affinity avian beta-parvalbumin, in the Ca2+-free and Ca2+-bound states.
J.Mol.Biol., 397, 2010
7JJ9
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BU of 7jj9 by Molmil
Crystal structure of Zn(II)-bound AdcA from Streptococcus pneumoniae
Descriptor: CHLORIDE ION, ZINC ION, Zinc-binding lipoprotein AdcA
Authors:Luo, Z, More, J.R, Kobe, B, McDevitt, C.A.
Deposit date:2020-07-24
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA.
Mbio, 12, 2021
7JJ8
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BU of 7jj8 by Molmil
Crystal structure of the Zn(II)-bound ZnuA-like domain of Streptococcus pneumoniae AdcA
Descriptor: ZINC ION, Zinc-binding lipoprotein AdcA
Authors:Luo, Z, More, J.R, Kobe, B, McDevitt, C.A.
Deposit date:2020-07-24
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA.
Mbio, 12, 2021
7JJB
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BU of 7jjb by Molmil
Crystal structure of Zn(II)-bound ZinT-like domain of Streptococcus pneumoniae AdcA
Descriptor: MAGNESIUM ION, SODIUM ION, ZINC ION, ...
Authors:Luo, Z, More, J.R, Kobe, B, McDevitt, C.A.
Deposit date:2020-07-24
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA.
Mbio, 12, 2021
7JJA
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BU of 7jja by Molmil
Crystal structure of the ZinT-like domain of Streptococcus pneumoniae AdcA in the apo form
Descriptor: SODIUM ION, Zinc-binding lipoprotein AdcA, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
Authors:Luo, Z, More, J.R, Kobe, B, McDevitt, C.A.
Deposit date:2020-07-24
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA.
Mbio, 12, 2021
7CID
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BU of 7cid by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI4
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BU of 7ci4 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIC
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BU of 7cic by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020

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